Crystal structure of plasmodium falciparum actin I (A272W mutant) in the mg-K-ATP/ADP state

Structure

x-ray diffraction · 2 distinct chains · 38% helix, 25% strand (DSSP).

Ligands and binding sites

• ATP · Adenosine-5'-triphosphate · ligand · chains A
• ADP · Adenosine-5'-diphosphate · ligand · chains A
• CA · Calcium ion · metal · 2 copies · chains G, A
• MG · Magnesium ion · metal · chains A
• K · Potassium ion · metal · chains A
• NA · Sodium ion · metal · chains A
• CL · Chloride ion · ion · chains A
• BTB · 2-[bis-(2-hydroxy-ethyl)-amino]-2-hydroxymethyl-propane-1,3-diol · additive · chains A
• PEG · Di(hydroxyethyl)ether · additive · chains A, G

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–G · 1074 Ų buried · 17 hydrogen bonds · protein-protein

Compared structures

• 6I4F · Crystal Structure of Plasmodium falciparum actin I (A272W mutant) in the Mg-K-ATP/ADP… · the same entry in another collection · chain A against A, TM-score 1.00
• Q8I4X0 · AlphaFold monomer V2.0 prediction for actin-1 (Q8I4X0) · a predicted model of the same protein · chain A against A, TM-score 0.99
• P13020 · AlphaFold monomer V2.0 prediction for gelsolin (P13020) · a predicted model of the same protein · chain G against A, TM-score 0.95

Analyse

• Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
• Every structure of UniProt Q8I4X0
• Every structure of UniProt P13020
• Elsewhere: RCSB PDB 6I4F · PDBe 6I4F · UniProt Q8I4X0 · UniProt P13020